4-{5-[4-({(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-5-yl]-4-tert-butyl-1,3-thiazol-2-yl}-3-methylbenzoic acid
基本情報
- 標準SMILES
Cc1cc(C(=O)O)ccc1-c1nc(C(C)(C)C)c(-c2cnc(N3CC(F)C3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)s1- InChIKey
RVZIEBQXKWSFCF-QLXKLKPCSA-N- 分子式
- C35H32F7N5O4S
- 平均分子量
- 751.7 g/mol
名称と識別子
- 優先名称
- 4-{5-[4-({(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-5-yl]-4-tert-butyl-1,3-thiazol-2-yl}-3-methylbenzoic acid
- IUPAC
- 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3-fluoroazetidin-1-yl)pyrimidin-5-yl]-4-tert-butyl-1,3-thiazol-2-yl]-3-methylbenzoic acid
名称と別名
4-{5-[4-({(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-5-yl]-4-tert-butyl-1,3-thiazol-2-yl}-3-methylbenzoic acidCHEMBL3961703SCHEMBL16650083BDBM234654US9353101, 50
データベース識別子
- PubChem CID
- 72190296
- ChEMBL
CHEMBL3961703
物性
構造計算による物性
- XLogP
- 8
- 極性表面積
- 137 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 16
- 回転可能結合数
- 8
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,280
関連反応
1 件
化合物ノート
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